Vitas-M small molecule compound
propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK014507
SMILES COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H30N2O7 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O7/c1-15(2)37-28(32)25-16(3)29-21-12-19(18-8-11-23(35-4)24(14-18)36-5)13-22(31)27(21)26(25)17-6-9-20(10-7-17)30(33)34/h6-11,14-15,19,26,29H,12-13H2,1-5H3InChIKey
GCCWDGOLMBAUPH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC(C)C
COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC28H30N2O7c115(2)3728(32)2516(3)29211219(1881123(354)24(1418)365)1322(31)27(21)26(25)176920(10717)30(33)34h6111415192629H1213H215H3
MFCD02224216
propan2yl7(34dimethoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl7(34dimethoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK014507
ZINC000000863436
ZINC000000863439
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